D-Pantothenic acid

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Names

[ CAS No. ]:
79-83-4

[ Name ]:
D-Pantothenic acid

[Synonym ]:
kyselinapantothenova
pantothenic acid
PANTOTHENOIC ACID
d-pantothenicaci
D-(+)-Pantothenic acid
Pantothenic
D-(+)-Pantothenyl alcohol
(+)-Pantothenic acid
(R)-Pantothenate
(R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alanine
Pantothenic acid, D- (8CI)
D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alanine
β-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-
D(+)-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-β-alanine
Pantothenylol
Pantothenate
N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-β-alanine
chick antidermatitis factor
VITAMIN B5
Ca pantothenaat
(R)-Pantothenic acid
D-VITAMIN B(5)
Pantothenic acid, D-
D-PANTOTHENIC ACID

Chemical & Physical Properties

[ Density]:
1.266

[ Boiling Point ]:
490.2±55.0 °C at 760 mmHg

[ Melting Point ]:
178-179ºC

[ Molecular Formula ]:
C9H17NO5

[ Molecular Weight ]:
219.235

[ Flash Point ]:
250.3±31.5 °C

[ Exact Mass ]:
219.110672

[ PSA ]:
106.86000

[ LogP ]:
-0.35

[ Vapour Pressure ]:
0.0±2.8 mmHg at 25°C

[ Index of Refraction ]:
1.510

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RU4729000
CHEMICAL NAME :
Pantothenic acid, D-
CAS REGISTRY NUMBER :
79-83-4
BEILSTEIN REFERENCE NO. :
1727064
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C9-H17-N-O5

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 6(1),139,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1443 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - somnolence (general depressed activity)
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 17,32,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 6(1),139,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2490 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BTMNA7 Bitamin. (Nippon Bitamin Gakkai, 4 Ushinomiya-cho, Yoshida, Sakyo-Ku, Kyoto 606, Japan) V.1- 1948- Volume(issue)/page/year: 25,297,1962 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81917 No. of Facilities: 862 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 1035 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81917 No. of Facilities: 234 (estimated) No. of Industries: 3 No. of Occupations: 10 No. of Employees: 4854 (estimated) No. of Female Employees: 52 (estimated)

Safety Information

[ Hazard Codes ]:
Xi

Synthetic Route

Precursor & DownStream

Precursor

  • D-(-)-Pantolactone
  • Ethyl β-alaninate
  • beta-Alanine
  • (R)-2,4-Dihydroxy-3,3-dimethylbutyramide
  • Sodium D-pantothenate
  • D-pantoic acid
  • Dexpanthenol

DownStream

  • Coenzyme A
  • D-(-)-Pantolactone
  • beta-Alanine
  • Butanal, 2-hydroxy-3-methyl-
  • Carbon dioxide
  • N-[3-[2-[2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

Related Compounds

  • D-Pantothenic acid (sodium)
  • D-pantothenic acid ethylamide
  • D-Pantothenic acid calcium salt
  • D-pantothenic acid methyl ester
  • D-pantothenic acid 4'-O-beta-glucoside
  • D-Pantothenic acid calcium salt hydrate